(4R)-N-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4R)-N-(3-chloranyl-4-methyl-phenyl)-6-oxidanylidene-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Openeye Name: (4R)-N-(3-chloro-4-methyl-phenyl)-6-oxo-2-piperidin-1-ium-1-ylidene-hexahydropyrimidine-4-carboxamide CAS Name: (4R)-N-(3-chloro-4-methylphenyl)-6-oxo-2-(1-piperidin-1-iumylidene)-1,3-diazinane-4-carboxamide IUPAC Name: (4R)-N-(3-chloro-4-methylphenyl)-6-oxo-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Traditional Name: (4R)-N-(3-chloro-4-methyl-phenyl)-6-keto-2-piperidin-1-ium-1-ylidene-hexahydropyrimidine-4-carboxamide Formula: C17H22ClN4O2+ MolecularWeight: 349.83518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=[N+]3CCCCC3)N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=O)NC(=[N+]3CCCCC3)N2)Cl

InChI

InChI=1S/C17H21ClN4O2/c1-11-5-6-12(9-13(11)18)19-16(24)14-10-15(23)21-17(20-14)22-7-3-2-4-8-22/h5-6,9,14H,2-4,7-8,10H2,1H3,(H2,19,20,21,23,24)/p+1/t14-/m1/s1